REMARK  Name = BDB030841
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.451  -1.415  -1.547  0.00  0.00    +0.090 A 
ATOM      2  C   LIG    1       -1.124  -1.335  -2.744  0.00  0.00    +0.099 A 
ATOM      3  C   LIG    1       -2.453  -0.999  -2.626  0.00  0.00    +0.129 A 
ATOM      4  N   LIG    1       -3.066  -0.752  -1.453  0.00  0.00    -0.222 NA
ATOM      5  C   LIG    1       -2.328  -0.851  -0.344  0.00  0.00    +0.216 A 
ATOM      6  N   LIG    1       -1.031  -1.162  -0.352  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1        4.529  -0.015   0.014  0.00  0.00    +0.052 A 
ATOM      8  C   LIG    1        4.443  -1.297  -0.570  0.00  0.00    +0.063 A 
ATOM      9 BR   LIG    1        5.972  -2.410  -0.770  0.00  0.00    -0.046 Br
ATOM     10  C   LIG    1        3.192  -1.758  -1.012  0.00  0.00    +0.063 A 
ATOM     11  C   LIG    1        2.032  -0.993  -0.895  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1        0.958  -1.756  -1.451  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1        1.483  -2.968  -1.854  0.00  0.00    +0.093 A 
ATOM     14  C   LIG    1        2.129   0.283  -0.308  0.00  0.00    +0.012 A 
ATOM     15  N   LIG    1        2.829  -2.950  -1.599  0.00  0.00    -0.359 N 
ATOM     16  H   LIG    1        3.473  -3.707  -1.793  0.00  0.00    +0.165 HD
ATOM     17  C   LIG    1        3.372   0.757   0.138  0.00  0.00    +0.025 A 
BRANCH   7  19
ATOM     18  C   LIG    1        6.130   1.621   1.037  0.00  0.00    +0.404 C 
ATOM     19  N   LIG    1        5.791   0.436   0.453  0.00  0.00    -0.250 N 
ATOM     20  H   LIG    1        6.573  -0.194   0.325  0.00  0.00    +0.158 HD
ATOM     21  O   LIG    1        5.402   2.563   1.309  0.00  0.00    -0.226 OA
BRANCH  18  23
ATOM     22  C   LIG    1        7.968   2.785   1.902  0.00  0.00    +0.282 C 
ATOM     23  O   LIG    1        7.468   1.598   1.285  0.00  0.00    -0.453 OA
ENDBRANCH  18  23
ENDBRANCH   7  19
ENDBRANCH   1  12
BRANCH   2  24
ATOM     24  C   LIG    1       -0.511  -1.581  -4.072  0.00  0.00    +0.421 C 
ATOM     25  F   LIG    1       -0.253  -2.897  -4.306  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1        0.660  -0.918  -4.270  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1       -1.317  -1.189  -5.104  0.00  0.00    -0.166 F 
ENDBRANCH   2  24
BRANCH   5  28
ATOM     28  N   LIG    1       -2.880  -0.629   0.906  0.00  0.00    -0.309 N 
ATOM     29  H   LIG    1       -2.089  -0.496   1.529  0.00  0.00    +0.149 HD
BRANCH  28  30
ATOM     30  C   LIG    1       -3.928   0.387   0.980  0.00  0.00    +0.087 C 
ATOM     31  C   LIG    1       -3.938   1.031   2.387  0.00  0.00    +0.103 C 
ATOM     32  N   LIG    1       -4.952   2.074   2.582  0.00  0.00    -0.314 NA
ATOM     33  H   LIG    1       -4.549   2.995   2.411  0.00  0.00    +0.122 HD
ATOM     34  C   LIG    1       -6.136   1.902   1.739  0.00  0.00    +0.081 C 
ATOM     35  C   LIG    1       -6.443   0.437   1.451  0.00  0.00    +0.017 C 
ATOM     36  C   LIG    1       -5.304  -0.239   0.685  0.00  0.00    +0.025 C 
ENDBRANCH  28  30
ENDBRANCH   5  28
TORSDOF 6